[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane

C17H17FN4O2S — CID 177346072

IUPAC[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
SMILES[H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)ccc23)c1
InChIInChI=1S/C17H17FN4O2S/c1-23-13-3-4-15-16(8-13)21-10-22-17(15)24-9-11-5-12(18)7-14(6-11)25(2,19)20/h3-8,10,19-20H,9H2,1-2H3
InChIKeyDMEBKXMONMKLEE-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.02
Rot. Bonds5

About [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane

[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane (PubChem CID 177346072) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane.

Molecular Properties

Compound Name[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
PubChem CID177346072
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
SMILES[H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)ccc23)c1
InChIInChI=1S/C17H17FN4O2S/c1-23-13-3-4-15-16(8-13)21-10-22-17(15)24-9-11-5-12(18)7-14(6-11)25(2,19)20/h3-8,10,19-20H,9H2,1-2H3
InChIKeyDMEBKXMONMKLEE-UHFFFAOYSA-N
XLogP4.02
TPSA91.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane with MolForge

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Related Compounds

[3-fluoro-5-[(6-fluoro-7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane
CID 177346128
cyclopropyl-diimino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-λ6-sulfane
CID 177346125
cyclopropyl-imino-[3-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-oxo-λ6-sulfane
CID 177346013
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
[3-fluoro-5-[(8-methoxy-1,7-naphthyridin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 177053029
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
CID 152704088
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The IUPAC name of [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane (CID 177346072) is [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane.
What is the SMILES notation for [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The canonical SMILES for [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane is [H]N=S(C)(=N[H])c1cc(F)cc(COc2ncnc3cc(OC)ccc23)c1.
What is the InChIKey of [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
The InChIKey is DMEBKXMONMKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-23-13-3-4-15-16(8-13)21-10-22-17(15)24-9-11-5-12(18)7-14(6-11)25(2,19)20/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane?
[3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane has a molecular weight of 360.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(7-methoxyquinazolin-4-yl)oxymethyl]phenyl]-diimino-methyl-λ6-sulfane is sourced from PubChem (CID 177346072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).